2-(2,5-dimethyl-1H-pyrrol-1-yl)ethan-1-ol

• ChemBase ID: 308275
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: n1(c(ccc1C)C)CCO
• Canonical SMILES: OCCn1c(C)ccc1C
• InChI: InChI=1S/C8H13NO/c1-7-3-4-8(2)9(7)5-6-10/h3-4,10H,5-6H2,1-2H3
• InChIKey: AREYOJNLKFSXPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethyl-1H-pyrrol-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(2,5-dimethylpyrrol-1-yl)ethanol
• Synonyms: 2-(2,5-dimethyl-1H-pyrrol-1-yl)ethanol

Database IDs

• CAS Number: 83662-06-0
• MDL Number: MFCD09034945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9858266
• LogD (pH = 7.4): 0.9858266
• Log P: 0.9858266
• Molar Refractivity: 42.3052 cm^3
• Polarizability: 15.781004 Å^3
• Polar Surface Area: 25.16 Å^2